1,5-diphenylpentan-3-yl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)cyclohexane-1-carboxylate

Systemtic Name: 1,5-diphenylpentan-3-yl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)cyclohexane-1-carboxylate Openeye Name: (1-phenethyl-3-phenyl-propyl) 2-(3,3-dimethyl-2-oxo-pentanoyl)cyclohexanecarboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-1-cyclohexanecarboxylic acid 1,5-diphenylpentan-3-yl ester IUPAC Name: 1,5-diphenylpentan-3-yl 2-(3,3-dimethyl-2-oxopentanoyl)cyclohexane-1-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)cyclohexanecarboxylic acid (1-phenethyl-3-phenyl-propyl) ester Formula: C31H40O4 MolecularWeight: 476.6469

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)C1CCCCC1C(=O)OC(CCC2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)C1CCCCC1C(=O)OC(CCC2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C31H40O4/c1-4-31(2,3)29(33)28(32)26-17-11-12-18-27(26)30(34)35-25(21-19-23-13-7-5-8-14-23)22-20-24-15-9-6-10-16-24/h5-10,13-16,25-27H,4,11-12,17-22H2,1-3H3